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4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[(1r,4r)-4-hydroxycyclohexyl]amino}benzamide

Compound number:
MolPort-023-219-207
CAS number: 908112-43-6; 908112-43-6
IUPAC:
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[(1r,4r)-4-hydroxycyclohexyl]amino}benzamide
IUPAC traditional:
4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-{[(1r,4r)-4-hydroxycyclohexyl]amino}benzamide
SMILES:
CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 |r,wU:18.18,wD:21.22,(8.5,3.61,;6.99,3.29,;8.08,2.2,;5.96,4.44,;4.45,4.12,;3.98,2.65,;2.44,2.65,;1.96,4.12,;3.21,5.02,;3.21,6.56,;1.87,7.33,;1.87,8.87,;3.21,9.64,;3.21,11.18,;1.87,11.95,;4.54,11.95,;4.54,8.87,;5.87,9.64,;7.21,8.87,;8.54,9.64,;9.88,8.87,;9.88,7.33,;11.21,6.56,;8.54,6.56,;7.21,7.33,;4.54,7.33,;1.53,1.41,;2.16,,;,1.57,;.91,2.81,;5.01,1.51,;4.53,.04,;6.51,1.83,)|
InChI key:
ZFVRYNYOPQZKDG-MQMHXKEQSA-N
Molecular formula: C23H27F3N4O3
Molecular weight: 464.489

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Selleck Chemicals LLC

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
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Ark Pharm, Inc.

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Catalog: Building blocks Ships out: 10 business days Purity: 98+%
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Angene

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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
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5 mg August 29, 2017 299.00 USD
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10 mg August 29, 2017 387.00 USD
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50 mg August 29, 2017 908.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-023-219-207
CAS number: 908112-43-6; 908112-43-6

Names, Synonyms and 3rd Party Identifiers
Name: ZINC10001596
ZINC10224912
ZINC36741071
MFCD16038907
2-[(trans-4-hydroxycyclohexyl)amino]-4-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl]-benzamide
4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)-2-(((1r,4r)-4-hydroxycyclohexyl)amino)benzamide
SNX-2112

InChI
InChI: 1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14-
InChI key: ZFVRYNYOPQZKDG-MQMHXKEQSA-N

Calculated Properties
Molecular formula: C23H27F3N4O3
Molecular weight: 464.489

Other

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2017 MolPort, v2.15, release date 16-08-2017 19:00 (+0200). All rights reserved.